Detailed information for compound 1866331

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 332.331 | Formula: C19H13FN4O
  • H donors: 1 H acceptors: 3 LogP: 3.43 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1ccc(cc1)n1nc2c(c1)c(ccc2)NC(=O)c1ccccn1
  • InChi: 1S/C19H13FN4O/c20-13-7-9-14(10-8-13)24-12-15-16(5-3-6-17(15)23-24)22-19(25)18-4-1-2-11-21-18/h1-12H,(H,22,25)
  • InChiKey: FUXZKNZULGQITB-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma cruzi heat shock protein 85, putative 0.0028 0.0185 0.0157
Echinococcus multilocularis chromobox protein 1 0.0059 0.0944 0.1088
Echinococcus granulosus chromobox protein 1 0.0059 0.0944 0.1088
Echinococcus multilocularis netrin receptor unc 5 0.0024 0.0106 0.0122
Loa Loa (eye worm) hypothetical protein 0.0023 0.0078 0.0089
Brugia malayi Protein kinase domain containing protein 0.0024 0.0106 0.0122
Leishmania major heat shock protein 83-1 0.0028 0.0185 0.0157
Trypanosoma cruzi heat shock protein 85, putative 0.0028 0.0185 0.0157
Echinococcus multilocularis BC026374 protein (S09 family) 0.0023 0.0078 0.0089
Schistosoma mansoni chromobox protein 0.0059 0.0944 0.0944
Leishmania major heat shock protein 83-1 0.0028 0.0185 0.0157
Loa Loa (eye worm) hypothetical protein 0.0023 0.0078 0.0089
Leishmania major heat shock protein 83-1 0.0028 0.0185 0.0157
Brugia malayi Carboxylesterase family protein 0.0023 0.0078 0.0089
Leishmania major dihydrofolate reductase-thymidylate synthase 0.0382 0.8673 1
Leishmania major heat shock protein 83-1 0.0028 0.0185 0.0157
Plasmodium falciparum basic transcription factor 3b, putative 0.003 0.0235 0.0271
Loa Loa (eye worm) hypothetical protein 0.0137 0.2814 0.3245
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.0382 0.8673 1
Schistosoma mansoni endoplasmin 0.0028 0.0185 0.0185
Loa Loa (eye worm) heterochromatin protein 1 0.0059 0.0944 0.1088
Brugia malayi Uncoordinated protein 44 0.0024 0.0106 0.0122
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0036 0.0379 0.0437
Echinococcus granulosus carboxylesterase 5A 0.0137 0.2814 0.3245
Brugia malayi Carboxylesterase family protein 0.0137 0.2814 0.3245
Plasmodium vivax basic transcription factor 3b, putative 0.003 0.0235 0.0271
Schistosoma mansoni hypothetical protein 0.0024 0.0106 0.0106
Brugia malayi hypothetical protein 0.0023 0.0078 0.0089
Echinococcus multilocularis Ankyrin 0.0025 0.0111 0.0128
Echinococcus granulosus nuclear factor of activated T cells 5 0.0375 0.8508 0.981
Onchocerca volvulus 0.0023 0.0078 0.0089
Echinococcus granulosus acetylcholinesterase 0.0137 0.2814 0.3245
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0023 0.0078 0.0078
Loa Loa (eye worm) endoplasmin 0.0028 0.0185 0.0213
Echinococcus granulosus BC026374 protein S09 family 0.0023 0.0078 0.0089
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0023 0.0078 0.0089
Giardia lamblia Heat shock protein HSP 90-alpha 0.0028 0.0185 1
Treponema pallidum heat shock protein 90 0.0022 0.005 0.5
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0033 0.0319 0.0367
Brugia malayi hypothetical protein 0.0182 0.3875 0.4468
Leishmania major heat shock protein 83-1 0.0028 0.0185 0.0157
Loa Loa (eye worm) hypothetical protein 0.0023 0.0078 0.0089
Trichomonas vaginalis conserved hypothetical protein 0.003 0.0235 0.0485
Schistosoma mansoni chromobox protein 0.0059 0.0944 0.0944
Trichomonas vaginalis chromobox protein, putative 0.0036 0.0379 0.0861
Onchocerca volvulus 0.0023 0.0078 0.0089
Entamoeba histolytica transcription factor BTF3, putative 0.003 0.0235 1
Loa Loa (eye worm) ICD-1 protein 0.003 0.0235 0.0271
Brugia malayi Carboxylesterase family protein 0.0023 0.0078 0.0089
Leishmania major heat shock protein 83-1 0.0028 0.0185 0.0157
Trichomonas vaginalis conserved hypothetical protein 0.0024 0.0086 0.0094
Echinococcus granulosus thymidylate synthase 0.0382 0.8673 1
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0023 0.0078 0.0032
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0137 0.2814 0.2814
Brugia malayi Carboxylesterase family protein 0.0023 0.0078 0.0089
Echinococcus multilocularis carboxylesterase 5A 0.0137 0.2814 0.3245
Toxoplasma gondii NAC domain-containing protein 0.003 0.0235 0.0059
Schistosoma mansoni netrin receptor unc5 0.0024 0.0106 0.0106
Echinococcus granulosus geminin 0.0144 0.2981 0.3438
Loa Loa (eye worm) hypothetical protein 0.0137 0.2814 0.3245
Brugia malayi beta-NAC-like protein 0.003 0.0235 0.0271
Echinococcus multilocularis thymidylate synthase 0.0382 0.8673 1
Echinococcus multilocularis endoplasmin 0.0022 0.005 0.0057
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0023 0.0078 0.0078
Echinococcus multilocularis neuroligin 0.0023 0.0078 0.0089
Loa Loa (eye worm) thymidylate synthase 0.0382 0.8673 1
Loa Loa (eye worm) hypothetical protein 0.0023 0.0078 0.0089
Echinococcus granulosus heat shock protein 90 0.0028 0.0185 0.0213
Schistosoma mansoni heat shock protein 0.0028 0.0185 0.0185
Mycobacterium tuberculosis Probable thymidylate synthase ThyA (ts) (TSASE) 0.0382 0.8673 1
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0023 0.0078 0.0073
Trichomonas vaginalis chromobox protein, putative 0.0036 0.0379 0.0861
Loa Loa (eye worm) hypothetical protein 0.0026 0.0146 0.0169
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0023 0.0078 0.0032
Leishmania major heat shock protein 83-1 0.0028 0.0185 0.0157
Echinococcus granulosus heat shock protein heat shock protein 90 alpha 0.0022 0.005 0.0057
Trichomonas vaginalis conserved hypothetical protein 0.0033 0.0319 0.0703
Trypanosoma brucei transcription factor BTF3, putative 0.003 0.0235 0.0059
Leishmania major heat shock protein 83-1 0.0028 0.0185 0.0157
Echinococcus multilocularis geminin 0.0144 0.2981 0.3438
Schistosoma mansoni heat shock protein 0.0028 0.0185 0.0185
Mycobacterium tuberculosis Carboxylesterase LipT 0.0023 0.0078 0.0032
Trypanosoma cruzi transcription factor btf3, putative 0.003 0.0235 0.0215
Echinococcus granulosus heat shock protein 0.0028 0.0185 0.0213
Brugia malayi Carboxylesterase family protein 0.0137 0.2814 0.3245
Leishmania major heat shock protein 83-1 0.0028 0.0185 0.0157
Echinococcus granulosus ankyrin repeat and death domain containing protein 0.0024 0.0106 0.0122
Trichomonas vaginalis chromobox protein, putative 0.0059 0.0944 0.2338
Echinococcus granulosus netrin receptor unc 5 0.0024 0.0106 0.0122
Trichomonas vaginalis heat shock protein, putative 0.0028 0.0185 0.0353
Echinococcus multilocularis chromobox protein 1 0.0059 0.0944 0.1088
Brugia malayi Death domain containing protein 0.0024 0.0106 0.0122
Mycobacterium tuberculosis Hypothetical protein 0.0182 0.3875 0.4436
Leishmania major heat shock protein 83-1 0.0028 0.0185 0.0157
Brugia malayi Carboxylesterase family protein 0.0023 0.0078 0.0089
Trypanosoma cruzi transcription factor btf3, putative 0.003 0.0235 0.0215
Echinococcus multilocularis ankyrin repeat and death domain containing protein 0.0024 0.0106 0.0122
Leishmania major heat shock protein 83-1 0.0028 0.0185 0.0157
Leishmania major basic transcription factor 3a, putative 0.003 0.0235 0.0215
Schistosoma mansoni gliotactin 0.0023 0.0078 0.0078
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0024 0.0106 0.0122
Onchocerca volvulus 0.0382 0.8673 1
Mycobacterium leprae PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE) 0.0382 0.8673 1
Echinococcus granulosus acetylcholinesterase 0.0137 0.2814 0.3245
Trypanosoma cruzi heat shock protein 90, putative 0.0028 0.0185 0.0157
Brugia malayi Endoplasmin precursor 0.0028 0.0185 0.0213
Brugia malayi chromobox protein homolog 3 0.0033 0.0319 0.0367
Loa Loa (eye worm) hypothetical protein 0.0024 0.0106 0.0122
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.0382 0.8673 1
Schistosoma mansoni neuroligin 3 (S09 family) 0.0023 0.0078 0.0078
Onchocerca volvulus Netrin receptor homolog 0.0024 0.0106 0.0122
Loa Loa (eye worm) carboxylesterase 0.0023 0.0078 0.0089
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.0382 0.8673 1
Echinococcus granulosus Ankyrin 0.0025 0.0111 0.0128
Brugia malayi heat shock protein 90 0.0028 0.0185 0.0213
Loa Loa (eye worm) hypothetical protein 0.0023 0.0078 0.0089
Echinococcus granulosus heat shock protein 90 0.0022 0.005 0.0057
Leishmania major heat shock protein 83-1 0.0028 0.0185 0.0157
Leishmania major heat shock protein 83-1 0.0028 0.0185 0.0157
Echinococcus granulosus neuroligin 0.0023 0.0078 0.0089
Trichomonas vaginalis conserved hypothetical protein 0.0182 0.3875 1
Trichomonas vaginalis conserved hypothetical protein 0.0024 0.0086 0.0094
Mycobacterium ulcerans carboxylesterase, LipT 0.0023 0.0078 0.0032
Schistosoma mansoni hypothetical protein 0.0144 0.2981 0.2981
Leishmania major heat shock protein 83-1 0.0028 0.0185 0.0157
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0023 0.0078 0.0089
Trypanosoma cruzi Heat shock protein 83, putative 0.0028 0.0185 0.0157
Leishmania major heat shock protein 83-1 0.0028 0.0185 0.0157
Schistosoma mansoni transcription factor btf3 0.003 0.0235 0.0235
Mycobacterium ulcerans thymidylate synthase 0.0382 0.8673 1
Loa Loa (eye worm) acetylcholinesterase 1 0.0137 0.2814 0.3245
Schistosoma mansoni hypothetical protein 0.0144 0.2981 0.2981
Schistosoma mansoni endoplasmin 0.0028 0.0185 0.0185
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.0382 0.8673 1
Brugia malayi Heterochromatin protein 1 0.0059 0.0944 0.1088
Onchocerca volvulus 0.0023 0.0078 0.0089
Trichomonas vaginalis conserved hypothetical protein 0.0033 0.0319 0.0703
Schistosoma mansoni acetylcholinesterase 0.0023 0.0078 0.0078
Onchocerca volvulus 0.0023 0.0078 0.0089
Trichomonas vaginalis conserved hypothetical protein 0.003 0.0235 0.0485
Echinococcus multilocularis nuclear factor of activated T cells 5 0.0375 0.8508 0.981
Schistosoma mansoni bifunctional dihydrofolate reductase-thymidylate synthase 0.0382 0.8673 0.8673
Echinococcus granulosus chromobox protein 1 0.0059 0.0944 0.1088
Entamoeba histolytica hypothetical protein 0.003 0.0235 1
Loa Loa (eye worm) hypothetical protein 0.0023 0.0078 0.0089
Schistosoma mansoni ankyrin 23/unc44 0.0024 0.0106 0.0106
Echinococcus multilocularis acetylcholinesterase 0.0137 0.2814 0.3245
Trichomonas vaginalis conserved hypothetical protein 0.003 0.0235 0.0485
Trypanosoma cruzi heat shock protein 85, putative 0.0028 0.0185 0.0157
Plasmodium vivax heat shock protein 86, putative 0.0028 0.0185 0.0213
Loa Loa (eye worm) heat shock protein 90 0.0028 0.0185 0.0213
Schistosoma mansoni retinoblastoma-binding protein 4 (rbbp4) 0.0025 0.0111 0.0111
Echinococcus multilocularis heat shock protein 0.0028 0.0185 0.0213
Leishmania major heat shock protein 83-1 0.0028 0.0185 0.0157
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase, putative 0.0182 0.3875 0.4436
Wolbachia endosymbiont of Brugia malayi heat shock protein 90 0.0022 0.005 0.5
Loa Loa (eye worm) carboxylesterase 0.0023 0.0078 0.0089
Echinococcus granulosus transcription factor btf3 0.003 0.0235 0.0271
Leishmania major heat shock protein 83-1 0.0028 0.0185 0.0157
Brugia malayi Immunoglobulin I-set domain containing protein 0.0024 0.0106 0.0122
Onchocerca volvulus 0.0023 0.0078 0.0089
Loa Loa (eye worm) carboxylesterase 0.0137 0.2814 0.3245
Loa Loa (eye worm) hypothetical protein 0.0023 0.0078 0.0089
Plasmodium vivax endoplasmin, putative 0.0028 0.0185 0.0213
Echinococcus granulosus endoplasmin 0.0022 0.005 0.0057
Echinococcus multilocularis transcription factor btf3 0.003 0.0235 0.0271
Echinococcus multilocularis acetylcholinesterase 0.0137 0.2814 0.3245
Echinococcus multilocularis heat shock protein 90 0.0028 0.0185 0.0213
Echinococcus granulosus para nitrobenzyl esterase 0.0023 0.0078 0.0089
Trichomonas vaginalis spcc417.12 protein, putative 0.0023 0.0078 0.0073
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0023 0.0078 0.0078
Echinococcus multilocularis heat shock protein 90 0.0022 0.005 0.0057
Loa Loa (eye worm) hypothetical protein 0.0025 0.0111 0.0128
Echinococcus granulosus death domain containing protein 0.0024 0.0106 0.0122
Trichomonas vaginalis chromobox protein, putative 0.0059 0.0944 0.2338
Loa Loa (eye worm) hypothetical protein 0.0033 0.0319 0.0367
Plasmodium falciparum heat shock protein 90 0.0028 0.0185 0.0213
Brugia malayi thymidylate synthase 0.0382 0.8673 1
Echinococcus multilocularis para nitrobenzyl esterase 0.0023 0.0078 0.0089
Onchocerca volvulus 0.0026 0.0146 0.0169
Schistosoma mansoni BC026374 protein (S09 family) 0.0023 0.0078 0.0078
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.0382 0.8673 1

Activities

No activities found for this compound.

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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